Source code for molsysmt.form.openmm_System.extract

from molsysmt._private.smonitor import NotImplementedMethodError
from molsysmt._private.argdigest import arg_digest
from molsysmt._private.variables import is_all
from depdigest import dep_digest


[docs]
@arg_digest(form='openmm.System')
@dep_digest('openmm')
def extract(item, atom_indices='all', structure_indices='all', copy_if_all=True, skip_digestion=False):

    if is_all(atom_indices) and is_all(structure_indices):
        tmp_item = item.__copy__()
    else:
        raise NotImplementedMethodError()

    return tmp_item